REMARK  Name = BDB059282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   1.108  -0.268  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.021   0.403  -0.675  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.047  -0.616  -0.648  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.058   2.311  -0.024  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.780   0.324  -0.346  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.561   0.995  -0.447  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.362   0.340  -0.149  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.384  -0.993   0.279  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.601  -1.681   0.371  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -2.635  -3.098   0.866  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.796  -1.011   0.063  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.873   1.079  -0.672  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -7.205   1.487  -0.937  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -6.154   0.463  -0.548  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.372   1.086  -0.400  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.210   2.037  -0.026  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.346   0.227   0.725  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.849  -1.135   0.736  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.398   1.055   1.908  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.935   0.216  -0.027  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        6.013  -0.188   0.754  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        5.839  -0.577   2.023  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        7.299  -0.210   0.224  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        7.492   0.175  -1.096  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        8.725   0.156  -1.615  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.421   0.579  -1.892  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.131   0.601  -1.359  0.00  0.00    +0.034 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6